Articles with "force conditions" as a keyword



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Accelerated Construction of Kinetic Network Model of Biomolecules Using Steered Molecular Dynamics.

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Published in 2018 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.8b00398

Abstract: A new class of rare event acceleration techniques based on steered molecular dynamics (SMD) simulations is introduced. A stretching force applied on a biomolecule causes it to access large end-to-end distances. Under these conditions the… read more here.

Keywords: force conditions; molecular dynamics; master msm; model ... See more keywords